ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine

C24H29N — CID 143676570

IUPACethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine
SMILESC=C.C=C(C)C(=C)c1c(-c2ccccc2C)cc2ccccn12.CC
InChIInChI=1S/C20H19N.C2H6.C2H4/c1-14(2)16(4)20-19(18-11-6-5-9-15(18)3)13-17-10-7-8-12-21(17)20;2*1-2/h5-13H,1,4H2,2-3H3;1-2H3;1-2H2
InChIKeyLHUWZXYOFRTSBG-UHFFFAOYSA-N
MW331.50 g/mol
LogP7.33
Rot. Bonds3

About ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine

ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine (PubChem CID 143676570) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine.

Molecular Properties

Compound Nameethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine
PubChem CID143676570
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Nameethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine
SMILESC=C.C=C(C)C(=C)c1c(-c2ccccc2C)cc2ccccn12.CC
InChIInChI=1S/C20H19N.C2H6.C2H4/c1-14(2)16(4)20-19(18-11-6-5-9-15(18)3)13-17-10-7-8-12-21(17)20;2*1-2/h5-13H,1,4H2,2-3H3;1-2H3;1-2H2
InChIKeyLHUWZXYOFRTSBG-UHFFFAOYSA-N
XLogP7.33
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine
CID 143676529
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
[3-(2-methylphenyl)indolizin-2-yl]methanamine
CID 118573394
2-methylindolizin-3-olate
CID 18737577
3-prop-1-en-2-ylindolizine
CID 15363255
2-(4-fluoro-3-methylphenyl)indolizin-3-amine
CID 82377844
2-methoxy-3-methylindolizine
CID 12694398
(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide
CID 75363141
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-methylindolizine-3-carboselenoaldehyde
CID 101139357
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine?
The IUPAC name of ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine (CID 143676570) is ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine.
What is the SMILES notation for ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine?
The canonical SMILES for ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine is C=C.C=C(C)C(=C)c1c(-c2ccccc2C)cc2ccccn12.CC.
What is the InChIKey of ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine?
The InChIKey is LHUWZXYOFRTSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N.C2H6.C2H4/c1-14(2)16(4)20-19(18-11-6-5-9-15(18)3)13-17-10-7-8-12-21(17)20;2*1-2/h5-13H,1,4H2,2-3H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine?
ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine has a molecular weight of 331.50 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;3-(3-methylbuta-1,3-dien-2-yl)-2-(2-methylphenyl)indolizine is sourced from PubChem (CID 143676570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).